11384163
  -OEChem-05102411342D

 52 62  0     0  0  0  0  0  0999 V2000
    8.6709   -0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8910   -2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735    2.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529    1.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4885   -3.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2498   -1.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4039   -3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6108   -2.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8064   -3.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6412   -2.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630    1.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436    1.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529    3.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7600    2.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458    2.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8729   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0553   -2.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    3.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226    1.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8408    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1970   -2.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8209    3.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6199    0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    1.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3806   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6691    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526   -0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1008    2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4486    2.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6673   -2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1107   -1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107   -3.8188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7526   -2.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6288   -4.5742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1584   -2.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2898   -3.4691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679   -1.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9228    0.5183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2043    0.9822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750    1.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918    3.8461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1975    2.9796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7471    2.7014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898   -0.1322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7985   -3.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8122    3.8772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047    1.0915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4513    0.8960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0869   -3.4522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8342    3.9964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 33  1  0  0  0  0
  6 10  1  0  0  0  0
  6 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 12 16  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 21  2  0  0  0  0
 17 45  1  0  0  0  0
 18 22  2  0  0  0  0
 18 46  1  0  0  0  0
 19 23  2  0  0  0  0
 19 47  1  0  0  0  0
 20 24  2  0  0  0  0
 20 48  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
 22 26  1  0  0  0  0
 22 50  1  0  0  0  0
 23 27  1  0  0  0  0
 23 51  1  0  0  0  0
 24 28  1  0  0  0  0
 24 52  1  0  0  0  0
 25 29  3  0  0  0  0
 26 31  3  0  0  0  0
 27 30  3  0  0  0  0
 28 32  3  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11384163

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1210

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB8AAAAAAAAAAAAAAAAAABgwAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADwCAAAAAAAAAAADAECBCAAAAAAAgAAAICAAAAAgAAAIAAAAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z,8Z,18Z,24Z)-undecacyclo[26.4.0.01,30.010,13.010,15.011,16.012,17.014,17.026,29.026,31.027,32]dotriaconta-2,8,18,24-tetraen-4,6,20,22-tetrayne

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z,8Z,18Z,24Z)-undecacyclo[26.4.0.01,30.010,13.010,15.011,16.012,17.014,17.026,29.026,31.027,32]dotriaconta-2,8,18,24-tetraen-4,6,20,22-tetrayne

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>Z</I>,8<I>Z</I>,18<I>Z</I>,24<I>Z</I>)-undecacyclo[26.4.0.0<SUP>1,30</SUP>.0<SUP>10,13</SUP>.0<SUP>10,15</SUP>.0<SUP>11,16</SUP>.0<SUP>12,17</SUP>.0<SUP>14,17</SUP>.0<SUP>26,29</SUP>.0<SUP>26,31</SUP>.0<SUP>27,32</SUP>]dotriaconta-2,8,18,24-tetraen-4,6,20,22-tetrayne

> <PUBCHEM_IUPAC_NAME>
(2Z,8Z,18Z,24Z)-undecacyclo[26.4.0.01,30.010,13.010,15.011,16.012,17.014,17.026,29.026,31.027,32]dotriaconta-2,8,18,24-tetraen-4,6,20,22-tetrayne

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z,8Z,18Z,24Z)-undecacyclo[26.4.0.01,30.010,13.010,15.011,16.012,17.014,17.026,29.026,31.027,32]dotriaconta-2,8,18,24-tetraen-4,6,20,22-tetrayne

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z,8Z,18Z,24Z)-undecacyclo[26.4.0.01,30.010,13.010,15.011,16.012,17.014,17.026,29.026,31.027,32]dotriaconta-2,8,18,24-tetraen-4,6,20,22-tetrayne

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H20/c1-2-6-10-14-30-23-26-24(30)28-25(30)27(23)32(26,28)16-12-8-4-3-7-11-15-31-20-17-21(31)19-22(31)18(20)29(17,19)13-9-5-1/h9-28H/b13-9-,14-10-,15-11-,16-12-

> <PUBCHEM_IUPAC_INCHIKEY>
VDFDBIFYCQNLTN-NONDJZLBSA-N

> <PUBCHEM_XLOGP3_AA>
5.9

> <PUBCHEM_EXACT_MASS>
404.156500638

> <PUBCHEM_MOLECULAR_FORMULA>
C32H20

> <PUBCHEM_MOLECULAR_WEIGHT>
404.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC23C4C5C2C6C3C4C56C=CC#CC#CC=CC78C9C2C7C3C8C9C23C=CC#CC#C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C\1=C\C23C4C5C2C6C5(C4C36)/C=C\C#CC#C/C=C\C78C9C2C7C3C2(C9C83)/C=C\C#CC#C1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
404.156500638

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$